4-chloro-6-imidazol-1-yl-N-(oxan-4-yl)-1,3,5-triazin-2-amine

C11H13ClN6O — CID 62863362

IUPAC4-chloro-6-imidazol-1-yl-N-(oxan-4-yl)-1,3,5-triazin-2-amine
SMILESClc1nc(NC2CCOCC2)nc(-n2ccnc2)n1
InChIInChI=1S/C11H13ClN6O/c12-9-15-10(14-8-1-5-19-6-2-8)17-11(16-9)18-4-3-13-7-18/h3-4,7-8H,1-2,5-6H2,(H,14,15,16,17)
InChIKeyNRSMXPNNQJJECP-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.30
Rot. Bonds3

About 4-chloro-6-imidazol-1-yl-N-(oxan-4-yl)-1,3,5-triazin-2-amine

4-chloro-6-imidazol-1-yl-N-(oxan-4-yl)-1,3,5-triazin-2-amine (PubChem CID 62863362) has the molecular formula C11H13ClN6O and a molecular weight of 280.72 g/mol. Its IUPAC name is 4-chloro-6-imidazol-1-yl-N-(oxan-4-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-imidazol-1-yl-N-(oxan-4-yl)-1,3,5-triazin-2-amine
PubChem CID62863362
Molecular FormulaC11H13ClN6O
Molecular Weight280.72 g/mol
Exact Mass280.08
IUPAC Name4-chloro-6-imidazol-1-yl-N-(oxan-4-yl)-1,3,5-triazin-2-amine
SMILESClc1nc(NC2CCOCC2)nc(-n2ccnc2)n1
InChIInChI=1S/C11H13ClN6O/c12-9-15-10(14-8-1-5-19-6-2-8)17-11(16-9)18-4-3-13-7-18/h3-4,7-8H,1-2,5-6H2,(H,14,15,16,17)
InChIKeyNRSMXPNNQJJECP-UHFFFAOYSA-N
XLogP1.30
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-chloro-6-imidazol-1-yl-N-(oxan-4-yl)-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-imidazol-1-yl-N-(oxan-4-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-imidazol-1-yl-N-(oxan-4-yl)-1,3,5-triazin-2-amine (CID 62863362) is 4-chloro-6-imidazol-1-yl-N-(oxan-4-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-imidazol-1-yl-N-(oxan-4-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-imidazol-1-yl-N-(oxan-4-yl)-1,3,5-triazin-2-amine is Clc1nc(NC2CCOCC2)nc(-n2ccnc2)n1.
What is the InChIKey of 4-chloro-6-imidazol-1-yl-N-(oxan-4-yl)-1,3,5-triazin-2-amine?
The InChIKey is NRSMXPNNQJJECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6O/c12-9-15-10(14-8-1-5-19-6-2-8)17-11(16-9)18-4-3-13-7-18/h3-4,7-8H,1-2,5-6H2,(H,14,15,16,17).
What are the key properties of 4-chloro-6-imidazol-1-yl-N-(oxan-4-yl)-1,3,5-triazin-2-amine?
4-chloro-6-imidazol-1-yl-N-(oxan-4-yl)-1,3,5-triazin-2-amine has a molecular weight of 280.72 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-imidazol-1-yl-N-(oxan-4-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62863362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).